N-(ethylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(ethylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(ethylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(ethylcarbamoyl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(ethylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(ethylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H26N6O2S MolecularWeight: 402.51374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3

InChI

InChI=1S/C19H26N6O2S/c1-3-20-18(27)21-17(26)14(2)28-19-23-22-16(13-24-11-7-8-12-24)25(19)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3,(H2,20,21,26,27)